[2-(2-methoxyanilino)-2-oxoethyl]-methyl-[(4-propan-2-ylphenyl)methyl]azanium

C20H27N2O2+ — CID 9028658

IUPAC[2-(2-methoxyanilino)-2-oxoethyl]-methyl-[(4-propan-2-ylphenyl)methyl]azanium
SMILESCOc1ccccc1NC(=O)C[NH+](C)Cc1ccc(C(C)C)cc1
InChIInChI=1S/C20H26N2O2/c1-15(2)17-11-9-16(10-12-17)13-22(3)14-20(23)21-18-7-5-6-8-19(18)24-4/h5-12,15H,13-14H2,1-4H3,(H,21,23)/p+1
InChIKeyDNQIVJQCSRJEMD-UHFFFAOYSA-O
MW327.45 g/mol
LogP2.47
Rot. Bonds7

About [2-(2-methoxyanilino)-2-oxoethyl]-methyl-[(4-propan-2-ylphenyl)methyl]azanium

[2-(2-methoxyanilino)-2-oxoethyl]-methyl-[(4-propan-2-ylphenyl)methyl]azanium (PubChem CID 9028658) has the molecular formula C20H27N2O2+ and a molecular weight of 327.45 g/mol. Its IUPAC name is [2-(2-methoxyanilino)-2-oxoethyl]-methyl-[(4-propan-2-ylphenyl)methyl]azanium.

Molecular Properties

Compound Name[2-(2-methoxyanilino)-2-oxoethyl]-methyl-[(4-propan-2-ylphenyl)methyl]azanium
PubChem CID9028658
Molecular FormulaC20H27N2O2+
Molecular Weight327.45 g/mol
Exact Mass327.21
IUPAC Name[2-(2-methoxyanilino)-2-oxoethyl]-methyl-[(4-propan-2-ylphenyl)methyl]azanium
SMILESCOc1ccccc1NC(=O)C[NH+](C)Cc1ccc(C(C)C)cc1
InChIInChI=1S/C20H26N2O2/c1-15(2)17-11-9-16(10-12-17)13-22(3)14-20(23)21-18-7-5-6-8-19(18)24-4/h5-12,15H,13-14H2,1-4H3,(H,21,23)/p+1
InChIKeyDNQIVJQCSRJEMD-UHFFFAOYSA-O
XLogP2.47
TPSA42.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(4-fluorophenyl)methyl-[2-(2-methoxyanilino)-2-oxoethyl]-methylazanium
CID 7998678
cyclopropyl-[2-(2-methoxyanilino)-2-oxoethyl]-[(4-propan-2-ylphenyl)methyl]azanium
CID 8915560
[2-(2-cyanoanilino)-2-oxoethyl]-methyl-[(4-propan-2-ylphenyl)methyl]azanium
CID 9028520
[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]-methyl-[(4-propan-2-ylphenyl)methyl]azanium
CID 9028841
[2-(2-chloro-4-fluoroanilino)-2-oxoethyl]-methyl-[(4-propan-2-ylphenyl)methyl]azanium
CID 9028549
(3-fluoro-4-methoxyphenyl)methyl-methyl-[2-oxo-2-(4-propan-2-ylanilino)ethyl]azanium
CID 9265045
(2,4-dichlorophenyl)methyl-[2-(2-methoxyanilino)-2-oxoethyl]-methylazanium
CID 9196953
(4-fluorophenyl)methyl-methyl-[2-oxo-2-(2-phenoxyanilino)ethyl]azanium
CID 9251939
(4-ethoxy-3-methoxyphenyl)methyl-methyl-[2-oxo-2-(4-propan-2-ylanilino)ethyl]azanium
CID 8798352
(3,4-dimethoxyphenyl)methyl-methyl-[2-oxo-2-(2-phenylanilino)ethyl]azanium
CID 2657545
diethyl-[2-(2-methoxyanilino)-2-oxoethyl]azanium
CID 7447498
[2-(2-methoxyanilino)-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium
CID 8797774

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxyanilino)-2-oxoethyl]-methyl-[(4-propan-2-ylphenyl)methyl]azanium?
The IUPAC name of [2-(2-methoxyanilino)-2-oxoethyl]-methyl-[(4-propan-2-ylphenyl)methyl]azanium (CID 9028658) is [2-(2-methoxyanilino)-2-oxoethyl]-methyl-[(4-propan-2-ylphenyl)methyl]azanium.
What is the SMILES notation for [2-(2-methoxyanilino)-2-oxoethyl]-methyl-[(4-propan-2-ylphenyl)methyl]azanium?
The canonical SMILES for [2-(2-methoxyanilino)-2-oxoethyl]-methyl-[(4-propan-2-ylphenyl)methyl]azanium is COc1ccccc1NC(=O)C[NH+](C)Cc1ccc(C(C)C)cc1.
What is the InChIKey of [2-(2-methoxyanilino)-2-oxoethyl]-methyl-[(4-propan-2-ylphenyl)methyl]azanium?
The InChIKey is DNQIVJQCSRJEMD-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H26N2O2/c1-15(2)17-11-9-16(10-12-17)13-22(3)14-20(23)21-18-7-5-6-8-19(18)24-4/h5-12,15H,13-14H2,1-4H3,(H,21,23)/p+1.
What are the key properties of [2-(2-methoxyanilino)-2-oxoethyl]-methyl-[(4-propan-2-ylphenyl)methyl]azanium?
[2-(2-methoxyanilino)-2-oxoethyl]-methyl-[(4-propan-2-ylphenyl)methyl]azanium has a molecular weight of 327.45 g/mol, XLogP of 2.47, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxyanilino)-2-oxoethyl]-methyl-[(4-propan-2-ylphenyl)methyl]azanium is sourced from PubChem (CID 9028658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).